Related papers: First-principles Study of Spiral Spin Density Wave…
We investigated the ground state of monolayer 1T-XCl$_{2}$ (X: Fe, Co, and Ni) using the generalized Bloch theorem, which can generate ferromagnetic, spiral, and antiferromagnetic states. Each state was represented by a unique spiral vector…
Transport and local spectroscopy measurements have revealed that monolayers of tungsten ditelluride ($1T'$-WTe$_2$) display a quantum spin Hall effect and an excitonic gap at neutrality, besides becoming superconducting at low electron…
We applied the generalized Bloch theorem to verify the ground state (most stable state) in monolayer metal diiodides 1T-XI$_{2}$ (X: Fe, Co, and Ni), a family of metal dihalides, using the first-principles calculations. The ground state,…
We find, through first-principles calculations, that hole doping induces a ferromagnetic phase transition in monolayer GaSe. Upon increasing hole density, the average spin magnetic moment per carrier increases and reaches a plateau near 1.0…
The magnetic structure of a Cr monolayer on a W(110) substrate is investigated by means of first-principles calculations based on the noncollinear spin density functional theory (DFT). As magnetic ground state we find a long-period…
Theoretical work has suggested that monolayer MoS2 doped with Mn should behave as a two-dimensional dilute magnetic semiconductor, which would open up possibilities for spintronic applications, device physics, and novel ground states. The…
Monolayer 1T'-WTe2 is a quantum spin Hall insulator with a gapped bulk and gapless helical edge states persisting to temperatures around 100 K. Recent studies have revealed a topological-to-trivial phase transition as well the emergence of…
MnAu$_{2}$ is a spin-spiral material with in-plane ferromagnetic Mn layers that form a screw-type pattern around a tetragonal $c$ axis. The spiral angle $\theta$ was shown using neutron diffraction experiments to decrease with pressure, and…
Using first-principles calculation methods, we reveal a series of phase transitions as a function of electron doping in single-layer 1T$'$-MoTe$_2$ and 1T$'$-WTe$_2$ exhibiting quantum spin Hall (QSH) edge states without doping. As…
Recent experiments revealed that monolayer $\alpha$-RuCl$_3$ can be obtain by chemical exfoliation method and exfoliation or restacking of nanosheets can manipulate the magnetic properties of the materials. In this present paper, the…
The electronic structure of a monolayer of single-molecule magnets Mn$_{12}$ on a Au(111) surface is studied using spin-polarized density-functional theory. The Mn$_{12}$ molecules are oriented such that the magnetic easy axis is normal to…
First-order phase transitions produce abrupt changes to the character of both ground and excited electronic states. Here we conduct electronic compressibility measurements to map the spin phase diagram and Landau level (LL) energies of…
We calculate the effect of spin waves on the properties of finite size spin chains with a chiral spin ground state observed on bi-atomic Fe chains deposited on Iridium(001). The system is described with a Heisenberg model supplemented with…
We have implemented non-collinear GGA and a generalized Bloch's theorem to simulate unconmensurate spiral arrangements of spins in a Density Functional Theory code based on localized wave functions. We have subsequently performed a thorough…
We systematically investigate the weakly trapped spin-1 Bose-Einstein condensates with spin-orbit coupling in an external Zeeman field. We find that the mean-field ground state favors either a magnetized standing wave phase or plane wave…
Next-generation spintronic devices will benefit from low-dimensionality, ferromagnetism, and half-metallicity, possibly controlled by electric fields. We find these technologically-appealing features to be combined with an exotic…
The quantum anomalous Hall state with a large band gap and a high Chern number is significant for practical applications in spintronics. By performing first-principles calculations, we investigate electronic properties of the fully…
We present detailed investigations of the magnetic properties of an Fe monolayer on W and Ta (110) surfaces based on the ab initio screened Korringa-Kohn-Rostoker method. By calculating tensorial exchange coupling coefficients, the ground…
Two-dimensional (2D) van der Waals (vdW) magnetic materials could be an ideal platform for ultracompact spintronic applications. Among them, FeCl$_{2}$ monolayer in the triangular lattice is subject to a strong debate. Thus, we critically…
We study the equilibrium spin configuration of the 2D Hubbard model at low doping, when a long-range magnetic order is still present. We use the spin-density-wave formalism and examine the two suggested candidates for a ground state: the…